N-[4,5-dimethoxy-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]carbamoyl]phenyl]furan-2-carboxamide

C22H25N5O6 — CID 154748220

IUPACN-[4,5-dimethoxy-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccco2)c(C(=O)NCC(=O)Nc2c(C)nn(C)c2C)cc1OC
InChIInChI=1S/C22H25N5O6/c1-12-20(13(2)27(3)26-12)25-19(28)11-23-21(29)14-9-17(31-4)18(32-5)10-15(14)24-22(30)16-7-6-8-33-16/h6-10H,11H2,1-5H3,(H,23,29)(H,24,30)(H,25,28)
InChIKeyLKANUXWZEHQAKI-UHFFFAOYSA-N
MW455.47 g/mol
LogP2.27
Rot. Bonds8

About N-[4,5-dimethoxy-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]carbamoyl]phenyl]furan-2-carboxamide

N-[4,5-dimethoxy-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 154748220) has the molecular formula C22H25N5O6 and a molecular weight of 455.47 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID154748220
Molecular FormulaC22H25N5O6
Molecular Weight455.47 g/mol
Exact Mass455.18
IUPAC NameN-[4,5-dimethoxy-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccco2)c(C(=O)NCC(=O)Nc2c(C)nn(C)c2C)cc1OC
InChIInChI=1S/C22H25N5O6/c1-12-20(13(2)27(3)26-12)25-19(28)11-23-21(29)14-9-17(31-4)18(32-5)10-15(14)24-22(30)16-7-6-8-33-16/h6-10H,11H2,1-5H3,(H,23,29)(H,24,30)(H,25,28)
InChIKeyLKANUXWZEHQAKI-UHFFFAOYSA-N
XLogP2.27
TPSA136.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4,5-dimethoxy-2-[2-(methylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119501659
N-[4,5-dimethoxy-2-[[(2R)-2-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9456873
N-[4,5-dimethoxy-2-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 119511764
2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 24530674
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 2627097
[2-(carbamoylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 16534373
N-[2-(2-chlorobenzoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide
CID 2989497
methyl 2-[3-(furan-2-carbonylamino)propanoylamino]-4,5-dimethoxybenzoate
CID 4788337
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-4,5-dimethoxyphenyl]furan-2-carboxamide;hydrochloride
CID 120657177
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 3998206
N-[5-chloro-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide
CID 55645164
N-[2-(1-aminohexan-2-ylcarbamoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide
CID 119666392

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4,5-dimethoxy-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]carbamoyl]phenyl]furan-2-carboxamide (CID 154748220) is N-[4,5-dimethoxy-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4,5-dimethoxy-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4,5-dimethoxy-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]carbamoyl]phenyl]furan-2-carboxamide is COc1cc(NC(=O)c2ccco2)c(C(=O)NCC(=O)Nc2c(C)nn(C)c2C)cc1OC.
What is the InChIKey of N-[4,5-dimethoxy-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is LKANUXWZEHQAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O6/c1-12-20(13(2)27(3)26-12)25-19(28)11-23-21(29)14-9-17(31-4)18(32-5)10-15(14)24-22(30)16-7-6-8-33-16/h6-10H,11H2,1-5H3,(H,23,29)(H,24,30)(H,25,28).
What are the key properties of N-[4,5-dimethoxy-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[4,5-dimethoxy-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 455.47 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethoxy-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 154748220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).